⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1117287 | 0.86 | — | — | |
| SCHEMBL5322896 | 0.80 | HRH4 (0.32) | — | |
| SCHEMBL25754969 | 0.77 | — | — | |
| SCHEMBL1260121 | 0.76 | — | — | |
| SCHEMBL10929671 | 0.76 | — | — | |
| SCHEMBL469143 | 0.75 | KCNH2 (0.44) | — | |
| Imbutamine SCHEMBL3885328 | 0.75 | HRH1 (0.44) | — | |
| SCHEMBL7497994 | 0.75 | — | — | |
| SCHEMBL1258619 | 0.75 | TLR7 (0.33) | — | |
| SCHEMBL7002161 | 0.74 | HIF1A (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1313713-A2 | 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002012198-A2 | 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2002-02-14 | — | — | WO | disclosed |
| US-5985869-A | USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1999-11-16 | — | — | US | disclosed |
| US-5753677-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |